#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4otb s ILE 2 N 0.00 0.71 -0.11 4.25 1.01 -1.26 -1.79 121.20 124.01 4otb s ILE 2 Ca 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 60.65 60.41 4otb s ILE 2 Cb 0.00 -0.89 -0.02 0.00 0.01 0.00 0.00 42.46 41.56 4otb s ILE 2 CO 0.00 0.18 -0.09 0.00 0.00 0.00 0.00 174.94 175.03 4otb s ALA 3 N 1.82 2.82 -0.24 9.38 0.00 -0.08 -5.00 121.76 130.46 4otb s ALA 3 Ca 0.03 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.11 4otb s ALA 3 Cb -0.14 -1.27 0.04 0.00 0.00 0.00 0.00 23.12 21.75 4otb s ALA 3 CO -0.07 0.37 -0.10 -1.14 0.00 0.00 0.00 175.76 174.82 4otb s GLN 4 N -0.10 2.65 -0.19 0.00 0.74 -1.26 -0.81 119.66 120.68 4otb s GLN 4 Ca 0.00 -1.08 -0.07 0.00 0.05 0.00 0.00 55.36 54.26 4otb s GLN 4 Cb -0.13 -2.88 -0.04 0.00 1.10 0.00 0.00 33.01 31.05 4otb s GLN 4 CO 0.03 -0.43 0.05 0.42 -0.55 0.00 0.00 175.29 174.81 4otb s ILE 5 N 1.24 4.61 -0.31 -2.34 1.01 -0.24 -4.99 121.20 120.18 4otb s ILE 5 Ca -0.02 -0.09 -0.11 0.00 0.00 0.00 0.00 60.65 60.42 4otb s ILE 5 Cb -0.17 -3.08 -0.02 0.00 0.01 0.00 0.00 42.46 39.19 4otb s ILE 5 CO -0.06 0.44 0.20 -1.00 0.00 0.00 0.00 174.94 174.52 4otb s HIS 6 N 0.60 3.21 0.11 3.97 3.76 -1.26 -1.07 115.29 124.60 4otb s HIS 6 Ca 0.03 -0.23 0.07 0.00 -0.15 0.00 0.00 55.06 54.77 4otb s HIS 6 Cb -0.13 -2.41 -0.04 0.00 1.11 0.00 0.00 32.58 31.11 4otb s HIS 6 CO 0.02 -0.34 -0.16 0.96 -0.85 0.00 0.00 174.74 174.36 4otb s ILE 7 N 1.70 1.43 0.37 0.60 -4.36 -0.25 -4.99 121.20 115.71 4otb s ILE 7 Ca 0.06 -1.59 -0.26 0.00 -0.26 0.00 0.00 60.65 58.60 4otb s ILE 7 Cb -0.17 -1.46 -0.09 0.00 1.25 0.00 0.00 42.46 42.00 4otb s ILE 7 CO 0.09 -0.26 1.14 -0.76 0.24 0.00 0.00 174.94 175.39 4otb s LEU 8 N -2.16 4.27 0.61 0.37 1.43 -1.26 0.37 118.68 122.31 4otb s LEU 8 Ca 0.06 2.30 -0.19 0.00 -1.03 0.00 0.00 54.13 55.27 4otb s LEU 8 Cb -0.08 -3.95 -0.03 0.00 0.03 0.00 0.00 46.19 42.17 4otb s LEU 8 CO 0.04 -0.53 1.23 -1.84 0.23 0.00 0.00 176.35 175.48 4otb n GLU 9 N 0.32 1.23 0.00 1.70 0.28 0.47 -4.45 120.64 120.18 4otb n GLU 9 Ca 0.03 0.47 0.00 0.00 -0.16 0.00 0.00 57.16 57.50 4otb n GLU 9 Cb 0.46 -2.45 0.00 0.00 1.43 0.00 0.00 31.44 30.88 4otb n GLU 9 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 4otb n GLY 10 N 0.97 1.28 3.87 -1.84 0.00 -1.26 -4.90 105.19 103.31 4otb n GLY 10 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 4otb n GLY 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 4otb s ARG 11 N 0.00 3.29 0.66 1.61 1.81 -1.26 -5.06 118.95 119.99 4otb s ARG 11 Ca 0.00 0.68 -0.07 0.00 -1.72 0.00 0.00 55.73 54.62 4otb s ARG 11 Cb 0.00 -2.05 0.04 0.00 -0.45 0.00 0.00 34.95 32.48 4otb s ARG 11 CO 0.00 -0.78 0.98 -1.54 -0.68 0.00 0.00 175.30 173.28 4otb s SER 12 N -4.20 5.18 0.24 0.23 1.04 -1.26 -4.93 113.70 110.00 4otb s SER 12 Ca 0.56 0.62 -0.05 0.00 0.48 0.00 0.00 55.95 57.56 4otb s SER 12 Cb -0.11 -1.42 0.25 0.00 0.10 0.00 0.00 66.02 64.83 4otb s SER 12 CO 0.53 -1.36 1.81 0.44 0.98 0.00 0.00 173.24 175.64 4otb h ASP 13 N -0.43 1.01 -0.46 7.02 5.19 -1.99 -1.95 116.42 124.81 4otb h ASP 13 Ca -0.45 -0.15 -0.07 0.00 -0.62 0.00 0.00 57.03 55.74 4otb h ASP 13 Cb 1.29 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 40.51 4otb h ASP 13 CO 0.61 0.90 0.02 -0.33 -3.12 0.00 0.00 179.24 177.32 4otb h GLU 14 N 1.07 0.86 -0.57 3.56 3.07 -1.98 0.72 114.58 121.32 4otb h GLU 14 Ca 0.25 -0.23 -0.09 0.00 -0.50 0.00 0.00 59.36 58.78 4otb h GLU 14 Cb 0.21 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 4otb h GLU 14 CO -0.02 0.85 -0.02 1.96 -1.40 0.00 0.00 179.01 180.38 4otb h GLN 15 N 0.81 0.99 0.00 2.33 4.20 -1.85 -0.94 115.11 120.65 4otb h GLN 15 Ca 0.16 -0.31 -0.17 0.00 0.06 0.00 0.00 58.65 58.39 4otb h GLN 15 Cb 0.45 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 4otb h GLN 15 CO 0.02 0.99 -0.80 0.87 -0.67 0.00 0.00 178.83 179.24 4otb h LYS 16 N 0.91 0.00 -0.29 1.46 1.57 -1.07 -1.94 116.57 117.21 4otb h LYS 16 Ca 0.16 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.82 4otb h LYS 16 Cb 0.55 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 4otb h LYS 16 CO 0.03 0.80 -0.34 1.49 -0.57 0.00 0.00 179.45 180.86 4otb h GLU 17 N 0.00 0.64 -0.15 3.15 4.81 -0.62 -1.72 114.58 120.69 4otb h GLU 17 Ca -0.01 -0.30 -0.04 0.00 -0.13 0.00 0.00 59.36 58.89 4otb h GLU 17 Cb 1.57 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.94 4otb h GLU 17 CO 0.10 0.89 -0.05 1.15 -0.73 0.00 0.00 179.01 180.37 4otb h THR 18 N 0.54 1.30 -0.55 0.32 2.02 -1.13 -2.44 112.91 112.97 4otb h THR 18 Ca 0.06 -1.04 0.07 0.00 0.77 0.00 0.00 66.41 66.27 4otb h THR 18 Cb 0.84 1.69 -0.06 0.00 -1.74 0.00 0.00 68.15 68.88 4otb h THR 18 CO 0.07 0.31 0.22 0.25 0.37 0.00 0.00 175.52 176.74 4otb h LEU 19 N -0.02 0.25 -0.99 2.58 5.85 -1.22 0.12 115.31 121.87 4otb h LEU 19 Ca 0.04 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 4otb h LEU 19 Cb 0.50 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 4otb h LEU 19 CO 0.02 0.16 0.41 0.40 -0.34 0.00 0.00 178.44 179.09 4otb h ILE 20 N 0.42 1.24 -0.06 4.05 2.04 -1.24 -1.25 117.51 122.71 4otb h ILE 20 Ca 0.27 -0.64 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 4otb h ILE 20 Cb 0.29 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 4otb h ILE 20 CO -0.25 0.28 -0.11 -0.09 0.00 0.00 0.00 178.15 177.97 4otb h ARG 21 N 1.12 0.18 0.52 2.37 2.43 -0.81 -2.44 114.38 117.75 4otb h ARG 21 Ca 0.28 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 4otb h ARG 21 Cb 0.07 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.64 4otb h ARG 21 CO -0.04 0.70 -0.25 0.93 -1.51 0.00 0.00 179.97 179.80 4otb h GLU 22 N -0.31 -0.67 -0.91 0.20 4.39 -0.69 -1.77 114.58 114.82 4otb h GLU 22 Ca 0.00 0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.77 4otb h GLU 22 Cb 0.69 0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 29.44 4otb h GLU 22 CO 0.03 -0.44 0.60 0.28 -1.16 0.00 0.00 179.01 178.32 4otb h VAL 23 N -0.70 1.20 -0.51 3.13 2.07 -1.35 -1.28 116.25 118.81 4otb h VAL 23 Ca -0.07 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 4otb h VAL 23 Cb 0.53 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 4otb h VAL 23 CO 0.12 0.22 0.18 0.28 0.02 0.00 0.00 177.57 178.39 4otb h SER 24 N 1.20 0.67 0.02 0.57 0.02 -1.18 -1.94 113.55 112.91 4otb h SER 24 Ca 0.35 -0.09 -0.27 0.00 -0.84 0.00 0.00 61.79 60.94 4otb h SER 24 Cb -0.08 -0.17 0.02 0.00 0.14 0.00 0.00 62.40 62.31 4otb h SER 24 CO -0.09 0.62 -1.06 -0.33 -1.14 0.00 0.00 176.83 174.84 4otb h GLU 25 N 0.73 0.69 -0.83 3.45 5.08 -0.74 -2.64 114.58 120.32 4otb h GLU 25 Ca 0.17 -0.76 0.07 0.00 -1.00 0.00 0.00 59.36 57.84 4otb h GLU 25 Cb 0.18 0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 4otb h GLU 25 CO -0.01 1.33 0.54 0.00 -1.00 0.00 0.00 179.01 179.86 4otb h ALA 26 N 0.41 1.60 -0.06 3.43 0.00 -0.98 0.40 119.26 124.06 4otb h ALA 26 Ca -0.13 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 4otb h ALA 26 Cb 1.71 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 19.28 4otb h ALA 26 CO 0.21 0.27 -0.42 0.82 0.00 0.00 0.00 179.25 180.13 4otb h ILE 27 N 0.90 1.42 0.12 0.00 2.04 -1.40 -1.77 117.51 118.83 4otb h ILE 27 Ca 0.36 -1.85 0.02 0.00 1.00 0.00 0.00 64.86 64.39 4otb h ILE 27 Cb 0.23 2.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.67 4otb h ILE 27 CO -0.13 0.54 -0.26 -1.28 0.00 0.00 0.00 178.15 177.01 4otb h SER 28 N -0.11 -0.75 0.46 1.72 0.87 -0.99 -1.53 113.55 113.22 4otb h SER 28 Ca -0.04 0.09 -0.14 0.00 -1.23 0.00 0.00 61.79 60.47 4otb h SER 28 Cb 1.09 0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 63.32 4otb h SER 28 CO 0.09 -0.35 -0.61 0.08 -0.53 0.00 0.00 176.83 175.50 4otb h ARG 29 N -0.47 0.15 -0.30 2.24 0.11 -1.03 0.22 114.38 115.30 4otb h ARG 29 Ca 0.03 -0.11 -0.09 0.00 0.10 0.00 0.00 59.98 59.91 4otb h ARG 29 Cb 0.50 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.58 4otb h ARG 29 CO -0.15 0.72 -0.20 0.77 0.10 0.00 0.00 179.97 181.21 4otb h SER 30 N 0.11 0.55 -0.10 0.08 0.02 -1.11 -3.15 113.55 109.96 4otb h SER 30 Ca -0.01 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 4otb h SER 30 Cb 1.11 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.50 4otb h SER 30 CO 0.09 0.76 0.00 0.18 -1.14 0.00 0.00 176.83 176.72 4otb n LEU 31 N -4.14 2.32 -3.34 5.07 4.77 -0.59 -4.97 117.00 116.11 4otb n LEU 31 Ca 0.00 -1.19 -0.24 0.00 -0.03 0.00 0.00 56.01 54.55 4otb n LEU 31 Cb 0.38 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.44 4otb n LEU 31 CO 0.42 0.47 0.03 -0.67 -1.33 0.00 0.00 177.39 176.30 4otb n ASP 32 N 0.76 -5.12 -4.87 -1.43 -0.08 0.67 -4.97 116.55 101.51 4otb n ASP 32 Ca 0.09 -0.42 -0.31 0.00 -1.51 0.00 0.00 54.79 52.63 4otb n ASP 32 Cb 0.36 -4.14 -0.05 0.00 2.34 0.00 0.00 41.12 39.63 4otb n ASP 32 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 4otb s ALA 33 N -3.13 3.87 0.14 -1.67 0.00 -0.63 -5.02 121.76 115.32 4otb s ALA 33 Ca 0.42 -0.87 -0.31 0.00 0.00 0.00 0.00 51.96 51.19 4otb s ALA 33 Cb -0.20 -1.73 -0.10 0.00 0.00 0.00 0.00 23.12 21.09 4otb s ALA 33 CO 0.52 0.79 1.58 -1.25 0.00 0.00 0.00 175.76 177.40 4otb s PRO 34 N -2.37 4.22 0.31 0.00 0.04 -1.26 -4.62 135.00 131.32 4otb s PRO 34 Ca 0.32 2.33 0.07 0.00 0.04 0.00 0.00 61.00 63.76 4otb s PRO 34 Cb -0.13 -3.26 0.80 0.00 0.04 0.00 0.00 34.50 31.95 4otb s PRO 34 CO 0.25 -0.62 1.73 1.25 0.04 0.00 0.00 177.00 179.65 4otb h LEU 35 N 7.20 0.63 -1.42 -3.56 5.85 -1.92 0.75 115.31 122.83 4otb h LEU 35 Ca -0.43 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.42 4otb h LEU 35 Cb 1.20 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.27 4otb h LEU 35 CO 0.91 0.13 0.07 0.71 -0.34 0.00 0.00 178.44 179.93 4otb h THR 36 N 0.59 0.00 0.00 1.05 1.35 -1.98 -0.53 112.91 113.39 4otb h THR 36 Ca 0.60 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.46 4otb h THR 36 Cb 1.08 0.47 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 4otb h THR 36 CO -0.46 0.00 -1.03 -1.54 -0.25 0.00 0.00 175.52 172.24 4otb n SER 37 N -2.28 0.62 -4.74 5.36 3.41 0.26 -4.93 113.62 111.32 4otb n SER 37 Ca -0.01 -0.27 -0.41 0.00 -0.26 0.00 0.00 58.87 57.92 4otb n SER 37 Cb 0.11 0.82 -0.04 0.00 -0.26 0.00 0.00 64.21 64.84 4otb n SER 37 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 4otb s VAL 38 N -3.18 3.78 -0.10 -3.33 1.01 -0.21 -3.78 120.40 114.59 4otb s VAL 38 Ca 0.04 1.54 0.00 0.00 0.00 0.00 0.00 61.98 63.56 4otb s VAL 38 Cb 0.15 -3.98 0.02 0.00 0.00 0.00 0.00 36.38 32.57 4otb s VAL 38 CO 0.81 0.26 -0.08 -0.13 0.00 0.00 0.00 175.10 175.96 4otb s ARG 39 N -0.38 1.50 0.03 2.72 1.81 -0.74 -5.01 118.95 118.89 4otb s ARG 39 Ca 0.50 -0.27 0.08 0.00 -1.72 0.00 0.00 55.73 54.32 4otb s ARG 39 Cb -0.30 -1.49 -0.03 0.00 -0.45 0.00 0.00 34.95 32.68 4otb s ARG 39 CO 0.36 -0.19 -0.22 0.08 -0.68 0.00 0.00 175.30 174.65 4otb s VAL 40 N 1.43 2.50 -0.08 3.52 1.01 -1.26 -0.91 120.40 126.61 4otb s VAL 40 Ca -0.00 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 60.74 4otb s VAL 40 Cb -0.13 -2.00 0.02 0.00 0.00 0.00 0.00 36.38 34.26 4otb s VAL 40 CO -0.05 0.38 -0.06 -0.63 0.00 0.00 0.00 175.10 174.74 4otb s ILE 41 N -0.84 0.80 -0.15 2.22 1.01 0.01 -4.97 121.20 119.26 4otb s ILE 41 Ca 0.13 -0.19 -0.07 0.00 0.00 0.00 0.00 60.65 60.52 4otb s ILE 41 Cb -0.10 -0.83 -0.04 0.00 0.01 0.00 0.00 42.46 41.50 4otb s ILE 41 CO 0.03 0.31 0.09 -0.63 0.00 0.00 0.00 174.94 174.75 4otb s ILE 42 N 1.45 5.08 -0.18 2.92 1.01 -1.26 -1.08 121.20 129.14 4otb s ILE 42 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.70 4otb s ILE 42 Cb -0.13 -3.25 0.04 0.00 0.01 0.00 0.00 42.46 39.13 4otb s ILE 42 CO -0.04 0.53 -0.08 -0.89 0.00 0.00 0.00 174.94 174.45 4otb s THR 43 N -0.24 1.39 0.22 2.92 2.01 -0.24 -4.96 115.64 116.75 4otb s THR 43 Ca 0.09 -0.79 -0.19 0.00 0.31 0.00 0.00 61.69 61.11 4otb s THR 43 Cb -0.12 -1.49 -0.08 0.00 0.01 0.00 0.00 72.50 70.82 4otb s THR 43 CO 0.01 0.19 0.72 -1.61 -0.69 0.00 0.00 174.62 173.24 4otb s GLU 44 N 1.51 4.24 -0.06 4.92 2.02 -1.25 -1.09 118.70 128.98 4otb s GLU 44 Ca 0.00 0.85 0.04 0.00 0.02 0.00 0.00 54.97 55.89 4otb s GLU 44 Cb -0.15 -2.87 -0.02 0.00 0.10 0.00 0.00 34.13 31.18 4otb s GLU 44 CO -0.08 0.39 -0.18 -1.64 0.02 0.00 0.00 175.26 173.77 4otb s MET 45 N -1.99 2.61 0.36 1.61 -1.94 0.16 -4.87 119.30 115.23 4otb s MET 45 Ca 0.43 -0.77 -0.27 0.00 -1.71 0.00 0.00 55.69 53.37 4otb s MET 45 Cb -0.16 -2.33 -0.09 0.00 2.01 0.00 0.00 34.83 34.25 4otb s MET 45 CO 0.21 0.49 1.15 0.00 -0.01 0.00 0.00 175.02 176.86 4otb s ALA 46 N -0.41 3.26 0.61 3.03 0.00 -1.26 -0.40 121.76 126.60 4otb s ALA 46 Ca 0.04 0.95 0.27 0.00 0.00 0.00 0.00 51.96 53.22 4otb s ALA 46 Cb -0.12 -3.36 1.28 0.00 0.00 0.00 0.00 23.12 20.91 4otb s ALA 46 CO 0.02 -0.40 1.70 0.87 0.00 0.00 0.00 175.76 177.95 4otb h LYS 47 N 3.05 0.00 -0.56 0.00 1.79 -1.96 0.93 116.57 119.83 4otb h LYS 47 Ca -0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 4otb h LYS 47 Cb 1.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 4otb h LYS 47 CO 0.64 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.42 4otb n GLY 48 N -1.51 1.73 0.37 3.86 0.00 -1.26 -2.21 105.19 106.17 4otb n GLY 48 Ca 0.10 -0.65 0.04 0.00 0.00 0.00 0.00 46.02 45.51 4otb n GLY 48 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 4otb n HIS 49 N 1.24 0.28 -3.98 1.61 8.25 0.32 -4.95 115.22 117.99 4otb n HIS 49 Ca 0.20 -0.55 -0.28 0.00 -0.26 0.00 0.00 57.72 56.83 4otb n HIS 49 Cb 0.51 -0.06 -0.17 0.00 1.12 0.00 0.00 29.99 31.39 4otb n HIS 49 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 4otb s PHE 50 N -1.22 1.76 -0.06 4.41 5.36 -1.23 -4.85 117.98 122.16 4otb s PHE 50 Ca 0.15 -0.93 -0.01 0.00 -0.96 0.00 0.00 56.93 55.19 4otb s PHE 50 Cb 0.09 -1.38 -0.03 0.00 -0.34 0.00 0.00 43.02 41.36 4otb s PHE 50 CO 0.08 -0.57 -0.01 0.20 -1.46 0.00 0.00 175.22 173.47 4otb s GLY 51 N 1.58 1.84 -0.16 13.12 0.00 -1.26 0.15 107.32 122.59 4otb s GLY 51 Ca 0.04 -0.86 -0.02 0.00 0.00 0.00 0.00 44.72 43.88 4otb s GLY 51 CO -0.09 -0.66 0.02 -0.42 0.00 0.00 0.00 173.10 171.95 4otb s ILE 52 N -0.94 0.56 -0.42 0.90 1.01 0.31 -4.76 121.20 117.87 4otb s ILE 52 Ca 0.15 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.39 4otb s ILE 52 Cb -0.11 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.41 4otb s ILE 52 CO 0.05 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.54 4otb n GLY 53 N 5.05 0.58 0.00 6.18 0.00 -1.26 -2.33 105.19 113.41 4otb n GLY 53 Ca -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.76 4otb n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4otb n GLY 54 N -1.05 2.87 3.91 -0.02 0.00 -1.26 -5.07 105.19 104.58 4otb n GLY 54 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 4otb n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 4otb s GLU 55 N -0.79 3.59 0.55 1.61 0.41 -0.98 -5.03 118.70 118.06 4otb s GLU 55 Ca 0.00 -0.14 -0.18 0.00 -0.41 0.00 0.00 54.97 54.23 4otb s GLU 55 Cb 0.00 -2.80 -0.05 0.00 -1.78 0.00 0.00 34.13 29.50 4otb s GLU 55 CO 0.00 0.39 1.08 -0.51 -0.49 0.00 0.00 175.26 175.74 4otb s LEU 56 N -3.05 3.68 0.30 1.80 1.02 -1.26 -0.53 118.68 120.64 4otb s LEU 56 Ca 0.41 2.00 -0.00 0.00 0.02 0.00 0.00 54.13 56.56 4otb s LEU 56 Cb -0.11 -4.56 0.46 0.00 0.02 0.00 0.00 46.19 42.00 4otb s LEU 56 CO 0.27 -1.13 1.89 0.00 0.02 0.00 0.00 176.35 177.40 4otb h ALA 57 N 1.00 1.33 -0.11 4.21 0.00 -0.26 -2.79 119.26 122.63 4otb h ALA 57 Ca -0.49 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.24 4otb h ALA 57 Cb 1.24 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 4otb h ALA 57 CO 0.57 0.51 -0.09 0.66 0.00 0.00 0.00 179.25 180.90 4otb h SER 58 N 0.86 0.16 -0.01 0.00 4.64 -1.71 -3.50 113.55 113.99 4otb h SER 58 Ca 0.21 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 4otb h SER 58 Cb 0.13 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 4otb h SER 58 CO -0.02 0.28 0.00 2.29 -0.87 0.00 0.00 176.83 178.50